N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide

C16H17ClFN5O3S2 — CID 170424753

IUPACN-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(Cl)cn1
InChIInChI=1S/C16H17ClFN5O3S2/c1-3-6-28(24,25)23(13-5-4-11(17)7-19-13)9-14-20-8-12(27-14)16-22-21-15(26-16)10(2)18/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyKLMDDLRHYOOGHK-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.02
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide

N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide (PubChem CID 170424753) has the molecular formula C16H17ClFN5O3S2 and a molecular weight of 445.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
PubChem CID170424753
Molecular FormulaC16H17ClFN5O3S2
Molecular Weight445.93 g/mol
Exact Mass445.04
IUPAC NameN-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(Cl)cn1
InChIInChI=1S/C16H17ClFN5O3S2/c1-3-6-28(24,25)23(13-5-4-11(17)7-19-13)9-14-20-8-12(27-14)16-22-21-15(26-16)10(2)18/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyKLMDDLRHYOOGHK-UHFFFAOYSA-N
XLogP4.02
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide (CID 170424753) is N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is KLMDDLRHYOOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O3S2/c1-3-6-28(24,25)23(13-5-4-11(17)7-19-13)9-14-20-8-12(27-14)16-22-21-15(26-16)10(2)18/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 445.93 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 170424753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).